USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.0223 (180deg=-0.33) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 ASN : amide:sc= -13.5! C(o=-13!,f=-3.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-1.8) USER MOD Single : A 109 MET CE :methyl 180:sc= -0.0124 (180deg=-0.0124) USER MOD Single : A 111 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 124 MET CE :methyl 156:sc= -0.123 (180deg=-0.81) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.8!) USER MOD Single : A 137 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.5!) USER MOD Single : A 138 TYR OH : rot 30:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 129:sc= -0.0385 (180deg=-0.464) USER MOD Single : A 144 MET CE :methyl -107:sc= 0 (180deg=-0.0623) USER MOD Single : A 145 MET CE :methyl 161:sc= -0.807 (180deg=-2.01!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 87:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.995 -6.724 4.882 1.00 0.00 N ATOM 2 CA ASP A 80 -17.761 -7.459 5.285 1.00 0.00 C ATOM 3 C ASP A 80 -16.563 -6.940 4.493 1.00 0.00 C ATOM 4 O ASP A 80 -15.506 -6.669 5.063 1.00 0.00 O ATOM 5 CB ASP A 80 -17.951 -8.951 5.028 1.00 0.00 C ATOM 6 CG ASP A 80 -18.898 -9.545 6.068 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.148 -8.882 7.062 1.00 0.00 O ATOM 8 OD2 ASP A 80 -19.360 -10.654 5.856 1.00 0.00 O ATOM 0 HA ASP A 80 -17.576 -7.298 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.353 -9.107 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.988 -9.461 5.068 1.00 0.00 H new ATOM 15 N ALA A 81 -16.720 -6.805 3.183 1.00 0.00 N ATOM 16 CA ALA A 81 -15.622 -6.316 2.358 1.00 0.00 C ATOM 17 C ALA A 81 -15.113 -4.985 2.905 1.00 0.00 C ATOM 18 O ALA A 81 -13.909 -4.800 3.094 1.00 0.00 O ATOM 19 CB ALA A 81 -16.087 -6.140 0.912 1.00 0.00 C ATOM 0 H ALA A 81 -17.578 -7.022 2.676 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.812 -7.045 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.259 -5.774 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.428 -7.098 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.906 -5.422 0.878 1.00 0.00 H new ATOM 25 N GLU A 82 -16.030 -4.064 3.169 1.00 0.00 N ATOM 26 CA GLU A 82 -15.649 -2.762 3.696 1.00 0.00 C ATOM 27 C GLU A 82 -14.954 -2.912 5.048 1.00 0.00 C ATOM 28 O GLU A 82 -14.078 -2.117 5.394 1.00 0.00 O ATOM 29 CB GLU A 82 -16.878 -1.871 3.837 1.00 0.00 C ATOM 30 CG GLU A 82 -16.427 -0.447 4.138 1.00 0.00 C ATOM 31 CD GLU A 82 -15.786 0.172 2.898 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.852 -0.446 1.848 1.00 0.00 O ATOM 33 OE2 GLU A 82 -15.238 1.255 3.019 1.00 0.00 O ATOM 0 H GLU A 82 -17.032 -4.192 3.029 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.953 -2.298 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.466 -1.894 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.520 -2.239 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.280 0.154 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.714 -0.449 4.963 1.00 0.00 H new ATOM 40 N GLU A 83 -15.330 -3.937 5.798 1.00 0.00 N ATOM 41 CA GLU A 83 -14.704 -4.172 7.091 1.00 0.00 C ATOM 42 C GLU A 83 -13.288 -4.687 6.872 1.00 0.00 C ATOM 43 O GLU A 83 -12.312 -4.012 7.204 1.00 0.00 O ATOM 44 CB GLU A 83 -15.517 -5.174 7.908 1.00 0.00 C ATOM 45 CG GLU A 83 -16.859 -4.549 8.292 1.00 0.00 C ATOM 46 CD GLU A 83 -17.715 -5.576 9.024 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.241 -6.685 9.214 1.00 0.00 O ATOM 48 OE2 GLU A 83 -18.831 -5.241 9.382 1.00 0.00 O ATOM 0 H GLU A 83 -16.053 -4.609 5.540 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.668 -3.237 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.680 -6.084 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.967 -5.460 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.697 -3.678 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.377 -4.200 7.399 1.00 0.00 H new ATOM 55 N GLU A 84 -13.175 -5.891 6.320 1.00 0.00 N ATOM 56 CA GLU A 84 -11.863 -6.472 6.072 1.00 0.00 C ATOM 57 C GLU A 84 -10.927 -5.433 5.455 1.00 0.00 C ATOM 58 O GLU A 84 -9.758 -5.344 5.836 1.00 0.00 O ATOM 59 CB GLU A 84 -11.989 -7.678 5.135 1.00 0.00 C ATOM 60 CG GLU A 84 -10.646 -8.404 5.049 1.00 0.00 C ATOM 61 CD GLU A 84 -10.337 -9.088 6.380 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.207 -9.102 7.232 1.00 0.00 O ATOM 63 OE2 GLU A 84 -9.233 -9.589 6.523 1.00 0.00 O ATOM 0 H GLU A 84 -13.963 -6.475 6.040 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.445 -6.801 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.758 -8.358 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.300 -7.350 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.673 -9.143 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.855 -7.696 4.802 1.00 0.00 H new ATOM 70 N LEU A 85 -11.430 -4.645 4.511 1.00 0.00 N ATOM 71 CA LEU A 85 -10.597 -3.626 3.882 1.00 0.00 C ATOM 72 C LEU A 85 -10.145 -2.596 4.912 1.00 0.00 C ATOM 73 O LEU A 85 -8.976 -2.210 4.937 1.00 0.00 O ATOM 74 CB LEU A 85 -11.378 -2.937 2.756 1.00 0.00 C ATOM 75 CG LEU A 85 -11.403 -3.844 1.513 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.586 -3.444 0.623 1.00 0.00 C ATOM 77 CD2 LEU A 85 -10.085 -3.695 0.719 1.00 0.00 C ATOM 0 H LEU A 85 -12.390 -4.689 4.170 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.713 -4.106 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.396 -2.724 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.915 -1.981 2.511 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.510 -4.882 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.610 -4.083 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.516 -3.560 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.475 -2.404 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.114 -4.341 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.966 -2.659 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.245 -3.980 1.352 1.00 0.00 H new ATOM 89 N LYS A 86 -11.063 -2.156 5.761 1.00 0.00 N ATOM 90 CA LYS A 86 -10.714 -1.170 6.777 1.00 0.00 C ATOM 91 C LYS A 86 -9.673 -1.756 7.738 1.00 0.00 C ATOM 92 O LYS A 86 -8.724 -1.079 8.123 1.00 0.00 O ATOM 93 CB LYS A 86 -11.967 -0.746 7.550 1.00 0.00 C ATOM 94 CG LYS A 86 -11.831 0.719 7.983 1.00 0.00 C ATOM 95 CD LYS A 86 -10.574 0.891 8.835 1.00 0.00 C ATOM 96 CE LYS A 86 -10.683 2.178 9.656 1.00 0.00 C ATOM 97 NZ LYS A 86 -11.649 1.966 10.771 1.00 0.00 N ATOM 0 H LYS A 86 -12.037 -2.458 5.769 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.289 -0.293 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.852 -0.871 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.101 -1.383 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.778 1.364 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.711 1.024 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.451 0.034 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.692 0.929 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.706 2.455 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.015 3.001 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.442 2.634 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.617 2.124 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.562 0.992 11.125 1.00 0.00 H new ATOM 111 N GLU A 87 -9.852 -3.021 8.118 1.00 0.00 N ATOM 112 CA GLU A 87 -8.910 -3.660 9.024 1.00 0.00 C ATOM 113 C GLU A 87 -7.545 -3.784 8.351 1.00 0.00 C ATOM 114 O GLU A 87 -6.534 -3.342 8.898 1.00 0.00 O ATOM 115 CB GLU A 87 -9.427 -5.039 9.418 1.00 0.00 C ATOM 116 CG GLU A 87 -8.500 -5.644 10.466 1.00 0.00 C ATOM 117 CD GLU A 87 -9.012 -7.016 10.895 1.00 0.00 C ATOM 118 OE1 GLU A 87 -9.903 -7.530 10.237 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.503 -7.536 11.875 1.00 0.00 O ATOM 0 H GLU A 87 -10.627 -3.611 7.817 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.807 -3.051 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.440 -4.961 9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.476 -5.686 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.492 -5.734 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.438 -4.984 11.331 1.00 0.00 H new ATOM 126 N ALA A 88 -7.518 -4.385 7.167 1.00 0.00 N ATOM 127 CA ALA A 88 -6.262 -4.548 6.452 1.00 0.00 C ATOM 128 C ALA A 88 -5.565 -3.193 6.317 1.00 0.00 C ATOM 129 O ALA A 88 -4.372 -3.063 6.603 1.00 0.00 O ATOM 130 CB ALA A 88 -6.520 -5.143 5.066 1.00 0.00 C ATOM 0 H ALA A 88 -8.337 -4.761 6.690 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.619 -5.227 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.573 -5.261 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.000 -6.116 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.170 -4.477 4.499 1.00 0.00 H new ATOM 136 N PHE A 89 -6.316 -2.182 5.903 1.00 0.00 N ATOM 137 CA PHE A 89 -5.751 -0.847 5.756 1.00 0.00 C ATOM 138 C PHE A 89 -5.139 -0.395 7.081 1.00 0.00 C ATOM 139 O PHE A 89 -4.039 0.160 7.103 1.00 0.00 O ATOM 140 CB PHE A 89 -6.838 0.138 5.327 1.00 0.00 C ATOM 141 CG PHE A 89 -6.224 1.496 5.063 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.988 2.376 6.124 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.900 1.877 3.756 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.430 3.636 5.879 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.346 3.137 3.511 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.110 4.016 4.572 1.00 0.00 C ATOM 0 H PHE A 89 -7.305 -2.258 5.666 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.974 -0.874 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.338 -0.226 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.598 0.217 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.237 2.083 7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.078 1.197 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.247 4.314 6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.100 3.431 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.681 4.989 4.382 1.00 0.00 H new ATOM 156 N LYS A 90 -5.847 -0.635 8.178 1.00 0.00 N ATOM 157 CA LYS A 90 -5.344 -0.245 9.490 1.00 0.00 C ATOM 158 C LYS A 90 -4.027 -0.958 9.794 1.00 0.00 C ATOM 159 O LYS A 90 -3.156 -0.400 10.464 1.00 0.00 O ATOM 160 CB LYS A 90 -6.384 -0.579 10.565 1.00 0.00 C ATOM 161 CG LYS A 90 -5.912 -0.052 11.923 1.00 0.00 C ATOM 162 CD LYS A 90 -7.000 -0.302 12.970 1.00 0.00 C ATOM 163 CE LYS A 90 -6.545 0.247 14.323 1.00 0.00 C ATOM 164 NZ LYS A 90 -7.633 0.062 15.325 1.00 0.00 N ATOM 0 H LYS A 90 -6.759 -1.092 8.187 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.161 0.830 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.345 -0.134 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.535 -1.657 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.987 -0.549 12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.694 1.014 11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.930 0.179 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.204 -1.370 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.642 -0.268 14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.295 1.304 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.324 0.435 16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.484 0.572 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.851 -0.951 15.418 1.00 0.00 H new ATOM 178 N VAL A 91 -3.880 -2.185 9.304 1.00 0.00 N ATOM 179 CA VAL A 91 -2.648 -2.931 9.538 1.00 0.00 C ATOM 180 C VAL A 91 -1.482 -2.319 8.761 1.00 0.00 C ATOM 181 O VAL A 91 -0.406 -2.098 9.316 1.00 0.00 O ATOM 182 CB VAL A 91 -2.837 -4.399 9.143 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.498 -5.136 9.240 1.00 0.00 C ATOM 184 CG2 VAL A 91 -3.846 -5.052 10.093 1.00 0.00 C ATOM 0 H VAL A 91 -4.584 -2.677 8.753 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.413 -2.877 10.601 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.206 -4.454 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.636 -6.180 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.777 -4.671 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.126 -5.082 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.984 -6.097 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.473 -4.994 11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.800 -4.530 10.025 1.00 0.00 H new ATOM 194 N PHE A 92 -1.704 -2.042 7.481 1.00 0.00 N ATOM 195 CA PHE A 92 -0.648 -1.451 6.657 1.00 0.00 C ATOM 196 C PHE A 92 -0.272 -0.078 7.189 1.00 0.00 C ATOM 197 O PHE A 92 0.886 0.333 7.108 1.00 0.00 O ATOM 198 CB PHE A 92 -1.098 -1.318 5.200 1.00 0.00 C ATOM 199 CG PHE A 92 -1.790 -2.582 4.754 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.314 -3.829 5.167 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.919 -2.505 3.929 1.00 0.00 C ATOM 202 CE1 PHE A 92 -1.957 -4.995 4.759 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.565 -3.674 3.520 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.084 -4.921 3.937 1.00 0.00 C ATOM 0 H PHE A 92 -2.585 -2.211 6.996 1.00 0.00 H new ATOM 0 HA PHE A 92 0.217 -2.112 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.773 -0.468 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.237 -1.121 4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.444 -3.889 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.290 -1.542 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.584 -5.957 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.435 -3.616 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.584 -5.825 3.623 1.00 0.00 H new ATOM 214 N ASP A 93 -1.252 0.636 7.722 1.00 0.00 N ATOM 215 CA ASP A 93 -0.995 1.970 8.245 1.00 0.00 C ATOM 216 C ASP A 93 -0.237 1.895 9.571 1.00 0.00 C ATOM 217 O ASP A 93 -0.719 2.366 10.597 1.00 0.00 O ATOM 218 CB ASP A 93 -2.323 2.711 8.454 1.00 0.00 C ATOM 219 CG ASP A 93 -2.068 4.202 8.636 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.961 4.635 8.367 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.992 4.894 9.040 1.00 0.00 O ATOM 0 H ASP A 93 -2.219 0.321 7.804 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.383 2.511 7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.978 2.548 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.837 2.313 9.329 1.00 0.00 H new ATOM 226 N LYS A 94 0.950 1.289 9.551 1.00 0.00 N ATOM 227 CA LYS A 94 1.734 1.168 10.776 1.00 0.00 C ATOM 228 C LYS A 94 1.779 2.504 11.511 1.00 0.00 C ATOM 229 O LYS A 94 1.602 2.554 12.728 1.00 0.00 O ATOM 230 CB LYS A 94 3.157 0.711 10.439 1.00 0.00 C ATOM 231 CG LYS A 94 3.133 -0.714 9.875 1.00 0.00 C ATOM 232 CD LYS A 94 3.075 -1.723 11.027 1.00 0.00 C ATOM 233 CE LYS A 94 3.106 -3.143 10.466 1.00 0.00 C ATOM 234 NZ LYS A 94 3.066 -4.121 11.591 1.00 0.00 N ATOM 0 H LYS A 94 1.381 0.883 8.720 1.00 0.00 H new ATOM 0 HA LYS A 94 1.262 0.428 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.603 1.390 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.780 0.746 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.270 -0.843 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.021 -0.891 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.917 -1.569 11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.167 -1.572 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.257 -3.302 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.008 -3.292 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.087 -5.089 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.890 -3.974 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.193 -3.984 12.140 1.00 0.00 H new ATOM 248 N ASP A 95 2.013 3.582 10.775 1.00 0.00 N ATOM 249 CA ASP A 95 2.075 4.904 11.385 1.00 0.00 C ATOM 250 C ASP A 95 0.681 5.355 11.804 1.00 0.00 C ATOM 251 O ASP A 95 0.521 6.390 12.452 1.00 0.00 O ATOM 252 CB ASP A 95 2.658 5.915 10.394 1.00 0.00 C ATOM 253 CG ASP A 95 3.848 5.302 9.664 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.854 5.061 10.309 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.729 5.079 8.469 1.00 0.00 O ATOM 0 H ASP A 95 2.162 3.569 9.766 1.00 0.00 H new ATOM 0 HA ASP A 95 2.716 4.849 12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.895 6.214 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.970 6.816 10.922 1.00 0.00 H new ATOM 260 N GLN A 96 -0.323 4.580 11.430 1.00 0.00 N ATOM 261 CA GLN A 96 -1.694 4.926 11.777 1.00 0.00 C ATOM 262 C GLN A 96 -1.974 6.392 11.431 1.00 0.00 C ATOM 263 O GLN A 96 -2.708 7.080 12.141 1.00 0.00 O ATOM 264 CB GLN A 96 -1.929 4.707 13.278 1.00 0.00 C ATOM 265 CG GLN A 96 -1.827 3.214 13.616 1.00 0.00 C ATOM 266 CD GLN A 96 -2.015 3.007 15.113 1.00 0.00 C ATOM 267 OE1 GLN A 96 -2.966 3.528 15.698 1.00 0.00 O ATOM 268 NE2 GLN A 96 -1.162 2.274 15.774 1.00 0.00 N ATOM 0 H GLN A 96 -0.219 3.719 10.894 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.367 4.286 11.207 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.195 5.269 13.855 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.912 5.085 13.559 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.583 2.655 13.065 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.856 2.828 13.306 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.375 1.843 15.288 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.282 2.131 16.777 1.00 0.00 H new ATOM 277 N ASN A 97 -1.377 6.881 10.349 1.00 0.00 N ATOM 278 CA ASN A 97 -1.575 8.276 9.951 1.00 0.00 C ATOM 279 C ASN A 97 -2.759 8.416 9.003 1.00 0.00 C ATOM 280 O ASN A 97 -3.051 9.515 8.527 1.00 0.00 O ATOM 281 CB ASN A 97 -0.316 8.806 9.274 1.00 0.00 C ATOM 282 CG ASN A 97 0.149 7.817 8.217 1.00 0.00 C ATOM 283 OD1 ASN A 97 1.309 7.840 7.810 1.00 0.00 O ATOM 284 ND2 ASN A 97 -0.688 6.937 7.747 1.00 0.00 N ATOM 0 H ASN A 97 -0.761 6.344 9.738 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.783 8.857 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.517 9.775 8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.470 8.960 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.381 6.267 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.650 6.918 8.084 1.00 0.00 H new ATOM 291 N GLY A 98 -3.448 7.312 8.732 1.00 0.00 N ATOM 292 CA GLY A 98 -4.605 7.352 7.840 1.00 0.00 C ATOM 293 C GLY A 98 -4.192 7.169 6.384 1.00 0.00 C ATOM 294 O GLY A 98 -5.041 7.013 5.510 1.00 0.00 O ATOM 0 H GLY A 98 -3.231 6.390 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.310 6.569 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.123 8.304 7.956 1.00 0.00 H new ATOM 298 N TYR A 99 -2.885 7.189 6.126 1.00 0.00 N ATOM 299 CA TYR A 99 -2.367 7.022 4.764 1.00 0.00 C ATOM 300 C TYR A 99 -1.259 5.977 4.742 1.00 0.00 C ATOM 301 O TYR A 99 -0.382 5.989 5.599 1.00 0.00 O ATOM 302 CB TYR A 99 -1.812 8.357 4.260 1.00 0.00 C ATOM 303 CG TYR A 99 -2.953 9.294 3.948 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.560 10.019 4.977 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.403 9.437 2.630 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.617 10.890 4.690 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.459 10.307 2.343 1.00 0.00 C ATOM 308 CZ TYR A 99 -5.066 11.035 3.373 1.00 0.00 C ATOM 309 OH TYR A 99 -6.109 11.895 3.089 1.00 0.00 O ATOM 0 H TYR A 99 -2.166 7.319 6.838 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.180 6.691 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.161 8.799 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.205 8.197 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.213 9.907 5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.935 8.875 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.086 11.450 5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.807 10.417 1.326 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.295 11.878 2.127 1.00 0.00 H new ATOM 319 N ILE A 100 -1.277 5.076 3.758 1.00 0.00 N ATOM 320 CA ILE A 100 -0.227 4.059 3.677 1.00 0.00 C ATOM 321 C ILE A 100 0.988 4.658 2.965 1.00 0.00 C ATOM 322 O ILE A 100 0.864 5.213 1.869 1.00 0.00 O ATOM 323 CB ILE A 100 -0.711 2.826 2.919 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.102 2.403 3.422 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.286 1.684 3.136 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.588 1.194 2.618 1.00 0.00 C ATOM 0 H ILE A 100 -1.985 5.028 3.025 1.00 0.00 H new ATOM 0 HA ILE A 100 0.041 3.749 4.687 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.781 3.060 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.057 2.154 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.805 3.229 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.052 0.799 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.267 1.982 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.354 1.458 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.574 0.893 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.648 1.459 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.889 0.368 2.745 1.00 0.00 H new ATOM 338 N SER A 101 2.156 4.548 3.597 1.00 0.00 N ATOM 339 CA SER A 101 3.390 5.099 3.017 1.00 0.00 C ATOM 340 C SER A 101 4.104 4.047 2.174 1.00 0.00 C ATOM 341 O SER A 101 3.902 2.852 2.370 1.00 0.00 O ATOM 342 CB SER A 101 4.323 5.575 4.135 1.00 0.00 C ATOM 343 OG SER A 101 3.851 6.815 4.652 1.00 0.00 O ATOM 0 H SER A 101 2.278 4.089 4.500 1.00 0.00 H new ATOM 0 HA SER A 101 3.124 5.941 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.365 4.830 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.337 5.691 3.752 1.00 0.00 H new ATOM 0 HG SER A 101 4.447 7.119 5.368 1.00 0.00 H new ATOM 349 N ALA A 102 4.940 4.490 1.236 1.00 0.00 N ATOM 350 CA ALA A 102 5.666 3.546 0.393 1.00 0.00 C ATOM 351 C ALA A 102 6.394 2.517 1.262 1.00 0.00 C ATOM 352 O ALA A 102 6.381 1.323 0.963 1.00 0.00 O ATOM 353 CB ALA A 102 6.672 4.287 -0.485 1.00 0.00 C ATOM 0 H ALA A 102 5.128 5.474 1.044 1.00 0.00 H new ATOM 0 HA ALA A 102 4.951 3.029 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.207 3.571 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.145 4.999 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.383 4.820 0.146 1.00 0.00 H new ATOM 359 N SER A 103 7.015 2.980 2.343 1.00 0.00 N ATOM 360 CA SER A 103 7.729 2.076 3.239 1.00 0.00 C ATOM 361 C SER A 103 6.779 1.019 3.803 1.00 0.00 C ATOM 362 O SER A 103 7.136 -0.161 3.917 1.00 0.00 O ATOM 363 CB SER A 103 8.363 2.863 4.385 1.00 0.00 C ATOM 364 OG SER A 103 9.068 1.967 5.236 1.00 0.00 O ATOM 0 H SER A 103 7.039 3.962 2.617 1.00 0.00 H new ATOM 0 HA SER A 103 8.513 1.576 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.042 3.619 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.593 3.390 4.949 1.00 0.00 H new ATOM 0 HG SER A 103 9.477 2.469 5.972 1.00 0.00 H new ATOM 370 N GLU A 104 5.559 1.419 4.150 1.00 0.00 N ATOM 371 CA GLU A 104 4.595 0.474 4.673 1.00 0.00 C ATOM 372 C GLU A 104 4.169 -0.515 3.581 1.00 0.00 C ATOM 373 O GLU A 104 3.997 -1.709 3.845 1.00 0.00 O ATOM 374 CB GLU A 104 3.380 1.226 5.211 1.00 0.00 C ATOM 375 CG GLU A 104 3.764 2.029 6.451 1.00 0.00 C ATOM 376 CD GLU A 104 2.521 2.717 7.000 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.589 2.904 6.237 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.521 3.065 8.169 1.00 0.00 O ATOM 0 H GLU A 104 5.224 2.380 4.078 1.00 0.00 H new ATOM 0 HA GLU A 104 5.054 -0.090 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.987 1.893 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.586 0.521 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.195 1.372 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.524 2.769 6.200 1.00 0.00 H new ATOM 385 N LEU A 105 4.014 -0.028 2.353 1.00 0.00 N ATOM 386 CA LEU A 105 3.616 -0.902 1.244 1.00 0.00 C ATOM 387 C LEU A 105 4.662 -2.015 1.073 1.00 0.00 C ATOM 388 O LEU A 105 4.320 -3.174 0.837 1.00 0.00 O ATOM 389 CB LEU A 105 3.503 -0.078 -0.050 1.00 0.00 C ATOM 390 CG LEU A 105 2.442 -0.683 -0.993 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.722 -2.174 -1.214 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.027 -0.505 -0.396 1.00 0.00 C ATOM 0 H LEU A 105 4.154 0.950 2.099 1.00 0.00 H new ATOM 0 HA LEU A 105 2.647 -1.351 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.238 0.951 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.469 -0.049 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 105 2.492 -0.162 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.967 -2.591 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.709 -2.297 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.689 -2.696 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.290 -0.937 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.973 -1.009 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.819 0.557 -0.263 1.00 0.00 H new ATOM 404 N ARG A 106 5.932 -1.661 1.197 1.00 0.00 N ATOM 405 CA ARG A 106 6.993 -2.652 1.062 1.00 0.00 C ATOM 406 C ARG A 106 6.862 -3.701 2.174 1.00 0.00 C ATOM 407 O ARG A 106 7.003 -4.901 1.923 1.00 0.00 O ATOM 408 CB ARG A 106 8.361 -1.973 1.132 1.00 0.00 C ATOM 409 CG ARG A 106 8.506 -1.038 -0.067 1.00 0.00 C ATOM 410 CD ARG A 106 9.823 -0.283 0.017 1.00 0.00 C ATOM 411 NE ARG A 106 10.939 -1.200 -0.155 1.00 0.00 N ATOM 412 CZ ARG A 106 12.189 -0.776 -0.039 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.417 0.474 0.249 1.00 0.00 N ATOM 414 NH2 ARG A 106 13.184 -1.603 -0.208 1.00 0.00 N ATOM 0 H ARG A 106 6.252 -0.711 1.388 1.00 0.00 H new ATOM 0 HA ARG A 106 6.901 -3.145 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.457 -1.413 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.154 -2.720 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.465 -1.612 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.675 -0.333 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.857 0.491 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.901 0.220 0.981 1.00 0.00 H new ATOM 0 HE ARG A 106 10.757 -2.181 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.637 1.117 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.376 0.810 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.002 -2.582 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.144 -1.271 -0.117 1.00 0.00 H new ATOM 428 N HIS A 107 6.580 -3.251 3.394 1.00 0.00 N ATOM 429 CA HIS A 107 6.419 -4.178 4.508 1.00 0.00 C ATOM 430 C HIS A 107 5.357 -5.213 4.161 1.00 0.00 C ATOM 431 O HIS A 107 5.438 -6.366 4.586 1.00 0.00 O ATOM 432 CB HIS A 107 6.026 -3.419 5.774 1.00 0.00 C ATOM 433 CG HIS A 107 6.018 -4.366 6.942 1.00 0.00 C ATOM 434 ND1 HIS A 107 4.983 -4.396 7.862 1.00 0.00 N ATOM 435 CD2 HIS A 107 6.912 -5.325 7.351 1.00 0.00 C ATOM 436 CE1 HIS A 107 5.275 -5.343 8.771 1.00 0.00 C ATOM 437 NE2 HIS A 107 6.440 -5.941 8.506 1.00 0.00 N ATOM 0 H HIS A 107 6.460 -2.267 3.633 1.00 0.00 H new ATOM 0 HA HIS A 107 7.366 -4.686 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.728 -2.605 5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.041 -2.968 5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.840 -5.564 6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.645 -5.590 9.613 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.887 -6.689 9.036 1.00 0.00 H new ATOM 446 N VAL A 108 4.366 -4.802 3.381 1.00 0.00 N ATOM 447 CA VAL A 108 3.320 -5.724 2.969 1.00 0.00 C ATOM 448 C VAL A 108 3.848 -6.688 1.906 1.00 0.00 C ATOM 449 O VAL A 108 3.590 -7.888 1.961 1.00 0.00 O ATOM 450 CB VAL A 108 2.120 -4.949 2.416 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.039 -5.929 1.955 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.549 -4.047 3.514 1.00 0.00 C ATOM 0 H VAL A 108 4.266 -3.851 3.026 1.00 0.00 H new ATOM 0 HA VAL A 108 3.003 -6.298 3.840 1.00 0.00 H new ATOM 0 HB VAL A 108 2.442 -4.342 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.187 -5.373 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.442 -6.574 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.716 -6.538 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.695 -3.494 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.230 -4.659 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.315 -3.345 3.843 1.00 0.00 H new ATOM 462 N MET A 109 4.587 -6.159 0.936 1.00 0.00 N ATOM 463 CA MET A 109 5.125 -7.004 -0.122 1.00 0.00 C ATOM 464 C MET A 109 6.081 -8.046 0.436 1.00 0.00 C ATOM 465 O MET A 109 5.962 -9.229 0.130 1.00 0.00 O ATOM 466 CB MET A 109 5.849 -6.132 -1.159 1.00 0.00 C ATOM 467 CG MET A 109 4.842 -5.541 -2.155 1.00 0.00 C ATOM 468 SD MET A 109 3.329 -5.058 -1.285 1.00 0.00 S ATOM 469 CE MET A 109 2.187 -5.310 -2.662 1.00 0.00 C ATOM 0 H MET A 109 4.823 -5.170 0.861 1.00 0.00 H new ATOM 0 HA MET A 109 4.296 -7.528 -0.597 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.387 -5.329 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.590 -6.728 -1.691 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.277 -4.676 -2.655 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.610 -6.273 -2.929 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.173 -5.067 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.471 -4.664 -3.493 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.227 -6.351 -2.982 1.00 0.00 H new ATOM 479 N ILE A 110 7.007 -7.610 1.277 1.00 0.00 N ATOM 480 CA ILE A 110 7.958 -8.541 1.875 1.00 0.00 C ATOM 481 C ILE A 110 7.226 -9.510 2.797 1.00 0.00 C ATOM 482 O ILE A 110 7.501 -10.709 2.800 1.00 0.00 O ATOM 483 CB ILE A 110 9.027 -7.764 2.651 1.00 0.00 C ATOM 484 CG1 ILE A 110 8.348 -6.915 3.730 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.806 -6.859 1.698 1.00 0.00 C ATOM 486 CD1 ILE A 110 8.314 -7.685 5.055 1.00 0.00 C ATOM 0 H ILE A 110 7.122 -6.636 1.558 1.00 0.00 H new ATOM 0 HA ILE A 110 8.446 -9.114 1.087 1.00 0.00 H new ATOM 0 HB ILE A 110 9.719 -8.465 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.887 -5.976 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.334 -6.661 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.564 -6.310 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.288 -7.466 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.122 -6.154 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.830 -7.075 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.756 -8.612 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.332 -7.916 5.368 1.00 0.00 H new ATOM 498 N ASN A 111 6.292 -8.985 3.589 1.00 0.00 N ATOM 499 CA ASN A 111 5.532 -9.828 4.507 1.00 0.00 C ATOM 500 C ASN A 111 4.796 -10.909 3.724 1.00 0.00 C ATOM 501 O ASN A 111 4.638 -12.034 4.199 1.00 0.00 O ATOM 502 CB ASN A 111 4.536 -8.983 5.300 1.00 0.00 C ATOM 503 CG ASN A 111 3.616 -9.883 6.124 1.00 0.00 C ATOM 504 OD1 ASN A 111 4.051 -10.922 6.626 1.00 0.00 O ATOM 505 ND2 ASN A 111 2.366 -9.549 6.297 1.00 0.00 N ATOM 0 H ASN A 111 6.047 -7.995 3.613 1.00 0.00 H new ATOM 0 HA ASN A 111 6.221 -10.301 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.072 -8.299 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.944 -8.372 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.750 -10.147 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.006 -8.690 5.882 1.00 0.00 H new ATOM 512 N LEU A 112 4.364 -10.569 2.517 1.00 0.00 N ATOM 513 CA LEU A 112 3.663 -11.535 1.676 1.00 0.00 C ATOM 514 C LEU A 112 4.647 -12.471 0.983 1.00 0.00 C ATOM 515 O LEU A 112 4.242 -13.371 0.248 1.00 0.00 O ATOM 516 CB LEU A 112 2.818 -10.802 0.620 1.00 0.00 C ATOM 517 CG LEU A 112 1.368 -10.643 1.100 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.316 -9.695 2.295 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.518 -10.082 -0.040 1.00 0.00 C ATOM 0 H LEU A 112 4.483 -9.645 2.101 1.00 0.00 H new ATOM 0 HA LEU A 112 3.010 -12.129 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.249 -9.821 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.837 -11.357 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 112 0.979 -11.615 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.284 -9.587 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.920 -10.100 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.706 -8.720 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.512 -9.968 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.911 -9.111 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.549 -10.767 -0.888 1.00 0.00 H new ATOM 531 N GLY A 113 5.928 -12.261 1.213 1.00 0.00 N ATOM 532 CA GLY A 113 6.944 -13.105 0.592 1.00 0.00 C ATOM 533 C GLY A 113 7.260 -12.629 -0.820 1.00 0.00 C ATOM 534 O GLY A 113 7.769 -13.394 -1.640 1.00 0.00 O ATOM 0 H GLY A 113 6.293 -11.524 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.851 -13.092 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.596 -14.137 0.562 1.00 0.00 H new ATOM 538 N GLU A 114 6.954 -11.362 -1.103 1.00 0.00 N ATOM 539 CA GLU A 114 7.213 -10.781 -2.424 1.00 0.00 C ATOM 540 C GLU A 114 8.162 -9.594 -2.285 1.00 0.00 C ATOM 541 O GLU A 114 8.006 -8.778 -1.379 1.00 0.00 O ATOM 542 CB GLU A 114 5.902 -10.307 -3.055 1.00 0.00 C ATOM 543 CG GLU A 114 5.014 -11.511 -3.380 1.00 0.00 C ATOM 544 CD GLU A 114 3.687 -11.027 -3.957 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.538 -9.828 -4.121 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.840 -11.864 -4.229 1.00 0.00 O ATOM 0 H GLU A 114 6.527 -10.718 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 114 7.665 -11.541 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.382 -9.635 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.109 -9.741 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.516 -12.164 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.838 -12.099 -2.479 1.00 0.00 H new ATOM 553 N LYS A 115 9.149 -9.494 -3.174 1.00 0.00 N ATOM 554 CA LYS A 115 10.114 -8.393 -3.124 1.00 0.00 C ATOM 555 C LYS A 115 10.248 -7.743 -4.496 1.00 0.00 C ATOM 556 O LYS A 115 10.745 -8.359 -5.434 1.00 0.00 O ATOM 557 CB LYS A 115 11.485 -8.923 -2.671 1.00 0.00 C ATOM 558 CG LYS A 115 11.728 -10.300 -3.293 1.00 0.00 C ATOM 559 CD LYS A 115 13.104 -10.814 -2.880 1.00 0.00 C ATOM 560 CE LYS A 115 13.339 -12.187 -3.511 1.00 0.00 C ATOM 561 NZ LYS A 115 14.689 -12.684 -3.125 1.00 0.00 N ATOM 0 H LYS A 115 9.303 -10.157 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 115 9.758 -7.648 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.272 -8.232 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.520 -8.992 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.956 -10.998 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.664 -10.236 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.877 -10.116 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.168 -10.884 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.573 -12.888 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.261 -12.119 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.851 -13.618 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.413 -12.018 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.747 -12.763 -2.090 1.00 0.00 H new ATOM 575 N LEU A 116 9.802 -6.495 -4.614 1.00 0.00 N ATOM 576 CA LEU A 116 9.886 -5.777 -5.889 1.00 0.00 C ATOM 577 C LEU A 116 10.940 -4.678 -5.788 1.00 0.00 C ATOM 578 O LEU A 116 11.238 -4.199 -4.694 1.00 0.00 O ATOM 579 CB LEU A 116 8.526 -5.162 -6.231 1.00 0.00 C ATOM 580 CG LEU A 116 7.442 -6.244 -6.195 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.074 -5.617 -6.494 1.00 0.00 C ATOM 582 CD2 LEU A 116 7.746 -7.313 -7.248 1.00 0.00 C ATOM 0 H LEU A 116 9.382 -5.962 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 116 10.168 -6.476 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.286 -4.370 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.562 -4.704 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 116 7.426 -6.699 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.306 -6.390 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.850 -4.857 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.092 -5.158 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.973 -8.081 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.766 -6.854 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.715 -7.765 -7.038 1.00 0.00 H new ATOM 594 N THR A 117 11.508 -4.274 -6.920 1.00 0.00 N ATOM 595 CA THR A 117 12.528 -3.230 -6.898 1.00 0.00 C ATOM 596 C THR A 117 11.909 -1.921 -6.410 1.00 0.00 C ATOM 597 O THR A 117 10.691 -1.760 -6.446 1.00 0.00 O ATOM 598 CB THR A 117 13.113 -3.034 -8.299 1.00 0.00 C ATOM 599 OG1 THR A 117 13.439 -4.300 -8.851 1.00 0.00 O ATOM 600 CG2 THR A 117 14.376 -2.176 -8.212 1.00 0.00 C ATOM 0 H THR A 117 11.287 -4.643 -7.845 1.00 0.00 H new ATOM 0 HA THR A 117 13.328 -3.529 -6.221 1.00 0.00 H new ATOM 0 HB THR A 117 12.381 -2.535 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.812 -4.179 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.791 -2.037 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.127 -1.205 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.111 -2.674 -7.579 1.00 0.00 H new ATOM 608 N ASP A 118 12.737 -0.985 -5.950 1.00 0.00 N ATOM 609 CA ASP A 118 12.217 0.288 -5.462 1.00 0.00 C ATOM 610 C ASP A 118 11.509 1.041 -6.585 1.00 0.00 C ATOM 611 O ASP A 118 10.504 1.718 -6.352 1.00 0.00 O ATOM 612 CB ASP A 118 13.353 1.142 -4.896 1.00 0.00 C ATOM 613 CG ASP A 118 12.780 2.278 -4.055 1.00 0.00 C ATOM 614 OD1 ASP A 118 11.569 2.328 -3.910 1.00 0.00 O ATOM 615 OD2 ASP A 118 13.558 3.080 -3.568 1.00 0.00 O ATOM 0 H ASP A 118 13.751 -1.081 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 118 11.498 0.085 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.014 0.525 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.954 1.548 -5.709 1.00 0.00 H new ATOM 620 N GLU A 119 12.026 0.922 -7.803 1.00 0.00 N ATOM 621 CA GLU A 119 11.419 1.602 -8.937 1.00 0.00 C ATOM 622 C GLU A 119 10.014 1.062 -9.200 1.00 0.00 C ATOM 623 O GLU A 119 9.117 1.814 -9.587 1.00 0.00 O ATOM 624 CB GLU A 119 12.284 1.422 -10.187 1.00 0.00 C ATOM 625 CG GLU A 119 13.607 2.166 -9.997 1.00 0.00 C ATOM 626 CD GLU A 119 14.526 1.913 -11.186 1.00 0.00 C ATOM 627 OE1 GLU A 119 14.093 1.253 -12.114 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.652 2.386 -11.152 1.00 0.00 O ATOM 0 H GLU A 119 12.853 0.368 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 119 11.348 2.664 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.471 0.363 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.761 1.804 -11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.420 3.235 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.090 1.836 -9.077 1.00 0.00 H new ATOM 635 N GLU A 120 9.810 -0.234 -8.970 1.00 0.00 N ATOM 636 CA GLU A 120 8.500 -0.821 -9.180 1.00 0.00 C ATOM 637 C GLU A 120 7.535 -0.342 -8.102 1.00 0.00 C ATOM 638 O GLU A 120 6.403 0.048 -8.399 1.00 0.00 O ATOM 639 CB GLU A 120 8.606 -2.348 -9.149 1.00 0.00 C ATOM 640 CG GLU A 120 9.499 -2.821 -10.298 1.00 0.00 C ATOM 641 CD GLU A 120 8.849 -2.492 -11.639 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.652 -2.255 -11.649 1.00 0.00 O ATOM 643 OE2 GLU A 120 9.556 -2.470 -12.632 1.00 0.00 O ATOM 0 H GLU A 120 10.526 -0.883 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 120 8.122 -0.510 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.019 -2.675 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.615 -2.794 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.475 -2.341 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.666 -3.895 -10.220 1.00 0.00 H new ATOM 650 N VAL A 121 7.983 -0.360 -6.849 1.00 0.00 N ATOM 651 CA VAL A 121 7.130 0.087 -5.753 1.00 0.00 C ATOM 652 C VAL A 121 6.793 1.565 -5.919 1.00 0.00 C ATOM 653 O VAL A 121 5.627 1.950 -5.851 1.00 0.00 O ATOM 654 CB VAL A 121 7.837 -0.144 -4.412 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.010 0.477 -3.280 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.985 -1.647 -4.165 1.00 0.00 C ATOM 0 H VAL A 121 8.913 -0.673 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 121 6.204 -0.488 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 121 8.822 0.321 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.514 0.312 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.903 1.548 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.024 0.014 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.488 -1.811 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.999 -2.110 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.574 -2.091 -4.967 1.00 0.00 H new ATOM 666 N GLU A 122 7.809 2.389 -6.158 1.00 0.00 N ATOM 667 CA GLU A 122 7.580 3.814 -6.342 1.00 0.00 C ATOM 668 C GLU A 122 6.584 4.046 -7.474 1.00 0.00 C ATOM 669 O GLU A 122 5.751 4.948 -7.404 1.00 0.00 O ATOM 670 CB GLU A 122 8.897 4.525 -6.655 1.00 0.00 C ATOM 671 CG GLU A 122 9.786 4.541 -5.407 1.00 0.00 C ATOM 672 CD GLU A 122 11.153 5.116 -5.755 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.325 5.537 -6.888 1.00 0.00 O ATOM 674 OE2 GLU A 122 12.010 5.124 -4.888 1.00 0.00 O ATOM 0 H GLU A 122 8.784 2.098 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 122 7.168 4.222 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.410 4.017 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.701 5.545 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.319 5.138 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.896 3.530 -5.014 1.00 0.00 H new ATOM 681 N GLN A 123 6.663 3.221 -8.511 1.00 0.00 N ATOM 682 CA GLN A 123 5.744 3.354 -9.637 1.00 0.00 C ATOM 683 C GLN A 123 4.318 3.009 -9.207 1.00 0.00 C ATOM 684 O GLN A 123 3.362 3.651 -9.643 1.00 0.00 O ATOM 685 CB GLN A 123 6.180 2.438 -10.785 1.00 0.00 C ATOM 686 CG GLN A 123 5.298 2.692 -12.011 1.00 0.00 C ATOM 687 CD GLN A 123 5.775 1.839 -13.181 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.902 1.343 -13.170 1.00 0.00 O ATOM 689 NE2 GLN A 123 4.980 1.634 -14.196 1.00 0.00 N ATOM 0 H GLN A 123 7.342 2.464 -8.597 1.00 0.00 H new ATOM 0 HA GLN A 123 5.765 4.388 -9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.225 2.622 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.103 1.394 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.260 2.456 -11.778 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.332 3.747 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.047 2.045 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.292 1.062 -14.981 1.00 0.00 H new ATOM 698 N MET A 124 4.174 1.997 -8.353 1.00 0.00 N ATOM 699 CA MET A 124 2.860 1.602 -7.888 1.00 0.00 C ATOM 700 C MET A 124 2.226 2.724 -7.072 1.00 0.00 C ATOM 701 O MET A 124 1.040 3.020 -7.230 1.00 0.00 O ATOM 702 CB MET A 124 2.978 0.335 -7.038 1.00 0.00 C ATOM 703 CG MET A 124 3.217 -0.867 -7.950 1.00 0.00 C ATOM 704 SD MET A 124 3.505 -2.345 -6.945 1.00 0.00 S ATOM 705 CE MET A 124 1.823 -2.525 -6.302 1.00 0.00 C ATOM 0 H MET A 124 4.945 1.446 -7.977 1.00 0.00 H new ATOM 0 HA MET A 124 2.224 1.400 -8.750 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.799 0.435 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.068 0.188 -6.456 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.356 -1.020 -8.600 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.075 -0.681 -8.596 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.651 -3.563 -6.018 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.696 -1.884 -5.429 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.107 -2.236 -7.071 1.00 0.00 H new ATOM 715 N ILE A 125 3.016 3.362 -6.221 1.00 0.00 N ATOM 716 CA ILE A 125 2.501 4.459 -5.412 1.00 0.00 C ATOM 717 C ILE A 125 2.046 5.600 -6.319 1.00 0.00 C ATOM 718 O ILE A 125 0.935 6.116 -6.178 1.00 0.00 O ATOM 719 CB ILE A 125 3.600 4.955 -4.461 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.152 3.769 -3.636 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.030 6.035 -3.529 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.220 3.442 -2.462 1.00 0.00 C ATOM 0 H ILE A 125 4.001 3.144 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 125 1.650 4.109 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 125 4.415 5.387 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.259 2.893 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.146 4.013 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.813 6.385 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.662 6.871 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.210 5.616 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.628 2.605 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.135 4.313 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.234 3.176 -2.843 1.00 0.00 H new ATOM 734 N LYS A 126 2.906 5.973 -7.254 1.00 0.00 N ATOM 735 CA LYS A 126 2.585 7.046 -8.188 1.00 0.00 C ATOM 736 C LYS A 126 1.393 6.663 -9.056 1.00 0.00 C ATOM 737 O LYS A 126 0.479 7.464 -9.263 1.00 0.00 O ATOM 738 CB LYS A 126 3.792 7.343 -9.063 1.00 0.00 C ATOM 739 CG LYS A 126 4.909 7.932 -8.202 1.00 0.00 C ATOM 740 CD LYS A 126 6.128 8.222 -9.078 1.00 0.00 C ATOM 741 CE LYS A 126 7.248 8.810 -8.219 1.00 0.00 C ATOM 742 NZ LYS A 126 8.439 9.081 -9.073 1.00 0.00 N ATOM 0 H LYS A 126 3.826 5.553 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 126 2.324 7.938 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.136 6.430 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.519 8.043 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.567 8.848 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.176 7.235 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.468 7.306 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.860 8.919 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.911 9.731 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.510 8.117 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.201 9.481 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.764 8.193 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.184 9.758 -9.820 1.00 0.00 H new ATOM 756 N GLU A 127 1.400 5.435 -9.554 1.00 0.00 N ATOM 757 CA GLU A 127 0.307 4.959 -10.393 1.00 0.00 C ATOM 758 C GLU A 127 -0.975 4.813 -9.586 1.00 0.00 C ATOM 759 O GLU A 127 -2.067 5.093 -10.080 1.00 0.00 O ATOM 760 CB GLU A 127 0.676 3.610 -10.992 1.00 0.00 C ATOM 761 CG GLU A 127 -0.385 3.195 -12.017 1.00 0.00 C ATOM 762 CD GLU A 127 0.012 1.876 -12.674 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.169 1.507 -12.561 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.847 1.258 -13.281 1.00 0.00 O ATOM 0 H GLU A 127 2.143 4.754 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 127 0.140 5.689 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.654 3.668 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.749 2.859 -10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.354 3.090 -11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.493 3.971 -12.775 1.00 0.00 H new ATOM 771 N ALA A 128 -0.836 4.366 -8.350 1.00 0.00 N ATOM 772 CA ALA A 128 -2.002 4.182 -7.492 1.00 0.00 C ATOM 773 C ALA A 128 -2.524 5.515 -6.980 1.00 0.00 C ATOM 774 O ALA A 128 -3.719 5.673 -6.738 1.00 0.00 O ATOM 775 CB ALA A 128 -1.653 3.286 -6.304 1.00 0.00 C ATOM 0 H ALA A 128 0.057 4.126 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.780 3.708 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.533 3.158 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.323 2.313 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.854 3.747 -5.723 1.00 0.00 H new ATOM 781 N ASP A 129 -1.624 6.473 -6.802 1.00 0.00 N ATOM 782 CA ASP A 129 -2.025 7.777 -6.285 1.00 0.00 C ATOM 783 C ASP A 129 -2.685 8.617 -7.364 1.00 0.00 C ATOM 784 O ASP A 129 -2.097 8.886 -8.409 1.00 0.00 O ATOM 785 CB ASP A 129 -0.809 8.520 -5.762 1.00 0.00 C ATOM 786 CG ASP A 129 -0.386 7.960 -4.412 1.00 0.00 C ATOM 787 OD1 ASP A 129 -0.465 6.756 -4.245 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.011 8.745 -3.565 1.00 0.00 O ATOM 0 H ASP A 129 -0.629 6.377 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.741 7.611 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.013 8.432 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -1.036 9.582 -5.667 1.00 0.00 H new ATOM 793 N LEU A 130 -3.909 9.040 -7.097 1.00 0.00 N ATOM 794 CA LEU A 130 -4.640 9.857 -8.056 1.00 0.00 C ATOM 795 C LEU A 130 -4.208 11.315 -7.990 1.00 0.00 C ATOM 796 O LEU A 130 -4.375 12.063 -8.958 1.00 0.00 O ATOM 797 CB LEU A 130 -6.151 9.756 -7.803 1.00 0.00 C ATOM 798 CG LEU A 130 -6.933 10.430 -8.955 1.00 0.00 C ATOM 799 CD1 LEU A 130 -8.154 9.576 -9.328 1.00 0.00 C ATOM 800 CD2 LEU A 130 -7.412 11.817 -8.507 1.00 0.00 C ATOM 0 H LEU A 130 -4.415 8.835 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.412 9.476 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.444 8.709 -7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.401 10.234 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.277 10.526 -9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -8.700 10.057 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.823 8.588 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.807 9.476 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -7.963 12.292 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.063 11.714 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.551 12.432 -8.245 1.00 0.00 H new ATOM 812 N ASP A 131 -3.676 11.731 -6.848 1.00 0.00 N ATOM 813 CA ASP A 131 -3.247 13.119 -6.676 1.00 0.00 C ATOM 814 C ASP A 131 -1.733 13.225 -6.573 1.00 0.00 C ATOM 815 O ASP A 131 -1.214 14.239 -6.104 1.00 0.00 O ATOM 816 CB ASP A 131 -3.878 13.704 -5.414 1.00 0.00 C ATOM 817 CG ASP A 131 -3.479 12.870 -4.202 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.486 12.170 -4.293 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.169 12.951 -3.198 1.00 0.00 O ATOM 0 H ASP A 131 -3.531 11.136 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.573 13.679 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.554 14.736 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.963 13.721 -5.514 1.00 0.00 H new ATOM 824 N GLY A 132 -1.014 12.194 -7.008 1.00 0.00 N ATOM 825 CA GLY A 132 0.441 12.231 -6.939 1.00 0.00 C ATOM 826 C GLY A 132 0.924 12.864 -5.631 1.00 0.00 C ATOM 827 O GLY A 132 1.940 13.555 -5.614 1.00 0.00 O ATOM 0 H GLY A 132 -1.406 11.340 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.836 11.219 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.832 12.797 -7.785 1.00 0.00 H new ATOM 831 N ASP A 133 0.190 12.636 -4.540 1.00 0.00 N ATOM 832 CA ASP A 133 0.582 13.200 -3.250 1.00 0.00 C ATOM 833 C ASP A 133 1.743 12.409 -2.659 1.00 0.00 C ATOM 834 O ASP A 133 2.440 12.885 -1.764 1.00 0.00 O ATOM 835 CB ASP A 133 -0.603 13.171 -2.287 1.00 0.00 C ATOM 836 CG ASP A 133 -0.951 11.727 -1.942 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.325 10.841 -2.502 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.828 11.528 -1.123 1.00 0.00 O ATOM 0 H ASP A 133 -0.662 12.076 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 133 0.898 14.232 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.360 13.723 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.463 13.664 -2.739 1.00 0.00 H new ATOM 843 N GLY A 134 1.947 11.194 -3.162 1.00 0.00 N ATOM 844 CA GLY A 134 3.027 10.345 -2.676 1.00 0.00 C ATOM 845 C GLY A 134 2.506 9.380 -1.632 1.00 0.00 C ATOM 846 O GLY A 134 3.210 8.460 -1.215 1.00 0.00 O ATOM 0 H GLY A 134 1.381 10.779 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.466 9.792 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.819 10.960 -2.249 1.00 0.00 H new ATOM 850 N GLN A 135 1.272 9.607 -1.192 1.00 0.00 N ATOM 851 CA GLN A 135 0.660 8.774 -0.177 1.00 0.00 C ATOM 852 C GLN A 135 -0.535 8.024 -0.750 1.00 0.00 C ATOM 853 O GLN A 135 -1.410 8.627 -1.372 1.00 0.00 O ATOM 854 CB GLN A 135 0.201 9.682 0.971 1.00 0.00 C ATOM 855 CG GLN A 135 1.193 9.606 2.133 1.00 0.00 C ATOM 856 CD GLN A 135 0.905 10.707 3.142 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.021 11.535 2.921 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.597 10.768 4.248 1.00 0.00 N ATOM 0 H GLN A 135 0.679 10.366 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 135 1.381 8.039 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.119 10.711 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.790 9.380 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.123 8.632 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.212 9.704 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.329 10.081 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.405 11.502 4.930 1.00 0.00 H new ATOM 867 N VAL A 136 -0.584 6.716 -0.512 1.00 0.00 N ATOM 868 CA VAL A 136 -1.704 5.929 -1.002 1.00 0.00 C ATOM 869 C VAL A 136 -2.880 6.122 -0.056 1.00 0.00 C ATOM 870 O VAL A 136 -2.772 5.829 1.137 1.00 0.00 O ATOM 871 CB VAL A 136 -1.316 4.448 -1.065 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.511 3.615 -1.538 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.160 4.272 -2.046 1.00 0.00 C ATOM 0 H VAL A 136 0.122 6.192 0.005 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.978 6.255 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.015 4.113 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.228 2.563 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.340 3.740 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.817 3.948 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.119 3.220 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.467 4.611 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.695 4.859 -1.710 1.00 0.00 H new ATOM 883 N ASN A 137 -4.010 6.615 -0.570 1.00 0.00 N ATOM 884 CA ASN A 137 -5.193 6.835 0.277 1.00 0.00 C ATOM 885 C ASN A 137 -6.143 5.644 0.171 1.00 0.00 C ATOM 886 O ASN A 137 -6.012 4.819 -0.731 1.00 0.00 O ATOM 887 CB ASN A 137 -5.918 8.121 -0.154 1.00 0.00 C ATOM 888 CG ASN A 137 -6.828 8.619 0.967 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.480 8.521 2.144 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.980 9.153 0.668 1.00 0.00 N ATOM 0 H ASN A 137 -4.134 6.867 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.869 6.939 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.188 8.890 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.506 7.931 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.594 9.490 1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.267 9.234 -0.307 1.00 0.00 H new ATOM 897 N TYR A 138 -7.086 5.540 1.102 1.00 0.00 N ATOM 898 CA TYR A 138 -8.020 4.422 1.090 1.00 0.00 C ATOM 899 C TYR A 138 -8.579 4.188 -0.318 1.00 0.00 C ATOM 900 O TYR A 138 -8.561 3.061 -0.809 1.00 0.00 O ATOM 901 CB TYR A 138 -9.174 4.701 2.048 1.00 0.00 C ATOM 902 CG TYR A 138 -10.106 3.515 2.071 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.761 2.366 2.792 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.319 3.563 1.374 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.628 1.269 2.816 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.186 2.468 1.399 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.841 1.318 2.119 1.00 0.00 C ATOM 908 OH TYR A 138 -12.697 0.235 2.144 1.00 0.00 O ATOM 0 H TYR A 138 -7.222 6.205 1.863 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.482 3.528 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.790 4.895 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.713 5.595 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.825 2.327 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.585 4.448 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.361 0.383 3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.123 2.509 0.863 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.593 -0.245 2.992 1.00 0.00 H new ATOM 918 N GLU A 139 -9.082 5.237 -0.961 1.00 0.00 N ATOM 919 CA GLU A 139 -9.650 5.088 -2.301 1.00 0.00 C ATOM 920 C GLU A 139 -8.628 4.540 -3.277 1.00 0.00 C ATOM 921 O GLU A 139 -8.935 3.651 -4.071 1.00 0.00 O ATOM 922 CB GLU A 139 -10.172 6.441 -2.785 1.00 0.00 C ATOM 923 CG GLU A 139 -10.861 6.275 -4.140 1.00 0.00 C ATOM 924 CD GLU A 139 -11.445 7.613 -4.587 1.00 0.00 C ATOM 925 OE1 GLU A 139 -11.516 8.510 -3.762 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.817 7.720 -5.745 1.00 0.00 O ATOM 0 H GLU A 139 -9.109 6.185 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.473 4.375 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.873 6.852 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.348 7.150 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.147 5.913 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.651 5.528 -4.068 1.00 0.00 H new ATOM 933 N GLU A 140 -7.417 5.055 -3.217 1.00 0.00 N ATOM 934 CA GLU A 140 -6.381 4.580 -4.117 1.00 0.00 C ATOM 935 C GLU A 140 -6.051 3.126 -3.820 1.00 0.00 C ATOM 936 O GLU A 140 -5.892 2.322 -4.739 1.00 0.00 O ATOM 937 CB GLU A 140 -5.122 5.461 -3.986 1.00 0.00 C ATOM 938 CG GLU A 140 -5.455 6.882 -4.443 1.00 0.00 C ATOM 939 CD GLU A 140 -4.572 7.884 -3.724 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.615 7.463 -3.105 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.876 9.061 -3.792 1.00 0.00 O ATOM 0 H GLU A 140 -7.127 5.788 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.746 4.646 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.775 5.470 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.312 5.052 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.313 6.968 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.504 7.100 -4.242 1.00 0.00 H new ATOM 948 N PHE A 141 -5.962 2.778 -2.542 1.00 0.00 N ATOM 949 CA PHE A 141 -5.664 1.402 -2.177 1.00 0.00 C ATOM 950 C PHE A 141 -6.779 0.494 -2.684 1.00 0.00 C ATOM 951 O PHE A 141 -6.526 -0.511 -3.346 1.00 0.00 O ATOM 952 CB PHE A 141 -5.539 1.279 -0.653 1.00 0.00 C ATOM 953 CG PHE A 141 -5.045 -0.100 -0.286 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.763 -0.511 -0.680 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.861 -0.967 0.449 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.302 -1.787 -0.339 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.401 -2.243 0.789 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.121 -2.653 0.395 1.00 0.00 C ATOM 0 H PHE A 141 -6.089 3.416 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.719 1.103 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.850 2.034 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.505 1.465 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.132 0.158 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.847 -0.650 0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.315 -2.104 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.032 -2.912 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.766 -3.638 0.658 1.00 0.00 H new ATOM 968 N VAL A 142 -8.015 0.864 -2.377 1.00 0.00 N ATOM 969 CA VAL A 142 -9.151 0.073 -2.818 1.00 0.00 C ATOM 970 C VAL A 142 -9.147 -0.021 -4.335 1.00 0.00 C ATOM 971 O VAL A 142 -9.319 -1.099 -4.906 1.00 0.00 O ATOM 972 CB VAL A 142 -10.458 0.724 -2.340 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.654 0.070 -3.039 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.601 0.554 -0.822 1.00 0.00 C ATOM 0 H VAL A 142 -8.253 1.694 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.078 -0.929 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.432 1.786 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.577 0.537 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.561 0.201 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.676 -0.994 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.530 1.018 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.617 -0.507 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.758 1.031 -0.322 1.00 0.00 H new ATOM 984 N LYS A 143 -8.931 1.109 -4.979 1.00 0.00 N ATOM 985 CA LYS A 143 -8.890 1.150 -6.432 1.00 0.00 C ATOM 986 C LYS A 143 -7.752 0.270 -6.943 1.00 0.00 C ATOM 987 O LYS A 143 -7.951 -0.578 -7.813 1.00 0.00 O ATOM 988 CB LYS A 143 -8.671 2.595 -6.873 1.00 0.00 C ATOM 989 CG LYS A 143 -8.764 2.697 -8.398 1.00 0.00 C ATOM 990 CD LYS A 143 -8.546 4.148 -8.829 1.00 0.00 C ATOM 991 CE LYS A 143 -8.655 4.255 -10.351 1.00 0.00 C ATOM 992 NZ LYS A 143 -10.049 3.936 -10.773 1.00 0.00 N ATOM 0 H LYS A 143 -8.781 2.009 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.829 0.777 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.417 3.242 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.695 2.943 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.017 2.053 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.740 2.349 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.286 4.793 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.566 4.492 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.386 5.260 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.954 3.569 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -10.404 4.690 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -10.058 3.031 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -10.658 3.865 -9.933 1.00 0.00 H new ATOM 1006 N MET A 144 -6.566 0.454 -6.378 1.00 0.00 N ATOM 1007 CA MET A 144 -5.413 -0.356 -6.773 1.00 0.00 C ATOM 1008 C MET A 144 -5.674 -1.805 -6.440 1.00 0.00 C ATOM 1009 O MET A 144 -5.346 -2.713 -7.208 1.00 0.00 O ATOM 1010 CB MET A 144 -4.161 0.104 -6.011 1.00 0.00 C ATOM 1011 CG MET A 144 -2.887 -0.497 -6.630 1.00 0.00 C ATOM 1012 SD MET A 144 -2.675 -2.203 -6.051 1.00 0.00 S ATOM 1013 CE MET A 144 -1.891 -1.829 -4.461 1.00 0.00 C ATOM 0 H MET A 144 -6.374 1.146 -5.654 1.00 0.00 H new ATOM 0 HA MET A 144 -5.255 -0.240 -7.845 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.100 1.192 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.237 -0.194 -4.965 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.955 -0.477 -7.718 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.019 0.102 -6.354 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.832 -2.083 -4.509 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.000 -0.767 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.369 -2.412 -3.674 1.00 0.00 H new ATOM 1023 N MET A 145 -6.263 -2.019 -5.276 1.00 0.00 N ATOM 1024 CA MET A 145 -6.560 -3.366 -4.846 1.00 0.00 C ATOM 1025 C MET A 145 -7.664 -3.965 -5.710 1.00 0.00 C ATOM 1026 O MET A 145 -7.597 -5.128 -6.103 1.00 0.00 O ATOM 1027 CB MET A 145 -6.974 -3.389 -3.369 1.00 0.00 C ATOM 1028 CG MET A 145 -7.252 -4.834 -2.926 1.00 0.00 C ATOM 1029 SD MET A 145 -7.547 -4.874 -1.137 1.00 0.00 S ATOM 1030 CE MET A 145 -5.849 -5.243 -0.624 1.00 0.00 C ATOM 0 H MET A 145 -6.540 -1.286 -4.623 1.00 0.00 H new ATOM 0 HA MET A 145 -5.657 -3.966 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.185 -2.957 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.864 -2.777 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.119 -5.228 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.406 -5.472 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 145 -5.722 -4.985 0.427 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.650 -6.305 -0.764 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.152 -4.661 -1.227 1.00 0.00 H new ATOM 1040 N MET A 146 -8.673 -3.156 -6.017 1.00 0.00 N ATOM 1041 CA MET A 146 -9.772 -3.620 -6.844 1.00 0.00 C ATOM 1042 C MET A 146 -9.272 -3.944 -8.243 1.00 0.00 C ATOM 1043 O MET A 146 -9.709 -4.920 -8.853 1.00 0.00 O ATOM 1044 CB MET A 146 -10.869 -2.551 -6.910 1.00 0.00 C ATOM 1045 CG MET A 146 -11.729 -2.609 -5.643 1.00 0.00 C ATOM 1046 SD MET A 146 -12.740 -4.111 -5.662 1.00 0.00 S ATOM 1047 CE MET A 146 -13.539 -3.861 -4.057 1.00 0.00 C ATOM 0 H MET A 146 -8.749 -2.187 -5.708 1.00 0.00 H new ATOM 0 HA MET A 146 -10.189 -4.525 -6.401 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.420 -1.563 -7.011 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.492 -2.710 -7.790 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.092 -2.599 -4.758 1.00 0.00 H new ATOM 0 HG3 MET A 146 -12.369 -1.729 -5.585 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.222 -4.687 -3.858 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.780 -3.821 -3.275 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.097 -2.925 -4.070 1.00 0.00 H new ATOM 1057 N THR A 147 -8.362 -3.117 -8.746 1.00 0.00 N ATOM 1058 CA THR A 147 -7.817 -3.325 -10.087 1.00 0.00 C ATOM 1059 C THR A 147 -7.228 -4.729 -10.207 1.00 0.00 C ATOM 1060 O THR A 147 -7.810 -5.597 -10.859 1.00 0.00 O ATOM 1061 CB THR A 147 -6.729 -2.281 -10.374 1.00 0.00 C ATOM 1062 OG1 THR A 147 -7.249 -0.980 -10.145 1.00 0.00 O ATOM 1063 CG2 THR A 147 -6.266 -2.398 -11.826 1.00 0.00 C ATOM 0 H THR A 147 -7.988 -2.305 -8.254 1.00 0.00 H new ATOM 0 HA THR A 147 -8.622 -3.217 -10.814 1.00 0.00 H new ATOM 0 HB THR A 147 -5.880 -2.457 -9.713 1.00 0.00 H new ATOM 0 HG1 THR A 147 -7.136 -0.744 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 147 -5.494 -1.654 -12.023 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.862 -3.395 -12.000 1.00 0.00 H new ATOM 0 HG23 THR A 147 -7.112 -2.228 -12.492 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.080 -4.943 -9.574 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.432 -6.249 -9.612 1.00 0.00 C ATOM 1073 C VAL A 148 -6.275 -7.280 -8.865 1.00 0.00 C ATOM 1074 O VAL A 148 -6.879 -8.158 -9.478 1.00 0.00 O ATOM 1075 CB VAL A 148 -4.030 -6.146 -9.000 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -3.416 -7.541 -8.863 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -3.141 -5.291 -9.911 1.00 0.00 C ATOM 0 H VAL A 148 -5.582 -4.236 -9.033 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.339 -6.575 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 148 -4.103 -5.687 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.420 -7.459 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.045 -8.154 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.345 -8.005 -9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.143 -5.216 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.076 -5.755 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -3.571 -4.294 -10.007 1.00 0.00 H new ATOM 1087 N ARG A 149 -6.323 -7.167 -7.545 1.00 0.00 N ATOM 1088 CA ARG A 149 -7.107 -8.101 -6.744 1.00 0.00 C ATOM 1089 C ARG A 149 -7.197 -7.622 -5.301 1.00 0.00 C ATOM 1090 O ARG A 149 -8.286 -7.256 -4.887 1.00 0.00 O ATOM 1091 CB ARG A 149 -6.464 -9.491 -6.786 1.00 0.00 C ATOM 1092 CG ARG A 149 -7.344 -10.492 -6.027 1.00 0.00 C ATOM 1093 CD ARG A 149 -6.750 -11.895 -6.158 1.00 0.00 C ATOM 1094 NE ARG A 149 -5.436 -11.945 -5.528 1.00 0.00 N ATOM 1095 CZ ARG A 149 -4.609 -12.956 -5.760 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -4.977 -13.915 -6.561 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -3.433 -12.987 -5.195 1.00 0.00 N ATOM 1098 OXT ARG A 149 -6.178 -7.623 -4.634 1.00 0.00 O ATOM 0 H ARG A 149 -5.836 -6.448 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 149 -8.113 -8.154 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -6.339 -9.813 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -5.470 -9.456 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -7.410 -10.210 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -8.358 -10.476 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -7.413 -12.624 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -6.668 -12.166 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 149 -5.149 -11.193 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -5.895 -13.885 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -4.347 -14.696 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -3.146 -12.232 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -2.800 -13.766 -5.376 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.962 4.995 7.354 1.00 0.00 CA HETATM 1114 CA CA A 234 -2.157 9.931 -3.146 1.00 0.00 CA